6-(hydroxymethyl)-2-methylsulfanyl-4-(2-methylsulfanyl-3-nitro-phenyl)-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 6-(hydroxymethyl)-2-methylsulfanyl-4-(2-methylsulfanyl-3-nitro-phenyl)-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 6-(hydroxymethyl)-2-methylsulfanyl-4-(2-methylsulfanyl-3-nitro-phenyl)-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-(hydroxymethyl)-2-(methylthio)-4-[2-(methylthio)-3-nitrophenyl]-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 6-(hydroxymethyl)-2-methylsulfanyl-4-(2-methylsulfanyl-3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 6-methylol-2-(methylthio)-4-[2-(methylthio)-3-nitro-phenyl]-1,4-dihydropyrimidine-5-carboxylic acid Formula: C14H15N3O5S2 MolecularWeight: 369.416

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=C1[N+](=O)[O-])C2C(=C(NC(=N2)SC)CO)C(=O)O

Isomeric SMILES

CSC1=C(C=CC=C1[N+](=O)[O-])C2C(=C(NC(=N2)SC)CO)C(=O)O

InChI

InChI=1S/C14H15N3O5S2/c1-23-12-7(4-3-5-9(12)17(21)22)11-10(13(19)20)8(6-18)15-14(16-11)24-2/h3-5,11,18H,6H2,1-2H3,(H,15,16)(H,19,20)